N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide

C71H72N16O9S — CID 157134732

IUPACN-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
SMILESCOCCOc1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.COc1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCOCC4)cn23)c1
InChIInChI=1S/C25H26N6O4S.C24H25N5O3.C22H21N5O2/c1-17-2-3-18(25(32)28-20-4-5-20)12-22(17)19-13-27-31(15-19)24-14-26-23-7-6-21(16-30(23)24)36(33,34)29-8-10-35-11-9-29;1-16-3-4-17(24(30)27-19-5-6-19)11-21(16)18-13-26-29(15-18)23-14-25-22-12-20(7-8-28(22)23)32-10-9-31-2;1-14-3-4-15(22(28)25-17-5-6-17)9-19(14)16-11-24-27(13-16)21-12-23-20-10-18(29-2)7-8-26(20)21/h2-3,6-7,12-16,20H,4-5,8-11H2,1H3,(H,28,32);3-4,7-8,11-15,19H,5-6,9-10H2,1-2H3,(H,27,30);3-4,7-13,17H,5-6H2,1-2H3,(H,25,28)
InChIKeyAJMLHQFVELNPBB-UHFFFAOYSA-N
MW1325.53 g/mol
LogP9.22
Rot. Bonds19

About N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide

N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide (PubChem CID 157134732) has the molecular formula C71H72N16O9S and a molecular weight of 1325.53 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
PubChem CID157134732
Molecular FormulaC71H72N16O9S
Molecular Weight1325.53 g/mol
Exact Mass1324.54
IUPAC NameN-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
SMILESCOCCOc1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.COc1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCOCC4)cn23)c1
InChIInChI=1S/C25H26N6O4S.C24H25N5O3.C22H21N5O2/c1-17-2-3-18(25(32)28-20-4-5-20)12-22(17)19-13-27-31(15-19)24-14-26-23-7-6-21(16-30(23)24)36(33,34)29-8-10-35-11-9-29;1-16-3-4-17(24(30)27-19-5-6-19)11-21(16)18-13-26-29(15-18)23-14-25-22-12-20(7-8-28(22)23)32-10-9-31-2;1-14-3-4-15(22(28)25-17-5-6-17)9-19(14)16-11-24-27(13-16)21-12-23-20-10-18(29-2)7-8-26(20)21/h2-3,6-7,12-16,20H,4-5,8-11H2,1H3,(H,28,32);3-4,7-8,11-15,19H,5-6,9-10H2,1-2H3,(H,27,30);3-4,7-13,17H,5-6H2,1-2H3,(H,25,28)
InChIKeyAJMLHQFVELNPBB-UHFFFAOYSA-N
XLogP9.22
TPSA266.96 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms97
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001325.53
LogP ≤ 59.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide (CID 157134732) is N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide is COCCOc1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.COc1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCOCC4)cn23)c1.
What is the InChIKey of N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
The InChIKey is AJMLHQFVELNPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4S.C24H25N5O3.C22H21N5O2/c1-17-2-3-18(25(32)28-20-4-5-20)12-22(17)19-13-27-31(15-19)24-14-26-23-7-6-21(16-30(23)24)36(33,34)29-8-10-35-11-9-29;1-16-3-4-17(24(30)27-19-5-6-19)11-21(16)18-13-26-29(15-18)23-14-25-22-12-20(7-8-28(22)23)32-10-9-31-2;1-14-3-4-15(22(28)25-17-5-6-17)9-19(14)16-11-24-27(13-16)21-12-23-20-10-18(29-2)7-8-26(20)21/h2-3,6-7,12-16,20H,4-5,8-11H2,1H3,(H,28,32);3-4,7-8,11-15,19H,5-6,9-10H2,1-2H3,(H,27,30);3-4,7-13,17H,5-6H2,1-2H3,(H,25,28).
What are the key properties of N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide has a molecular weight of 1325.53 g/mol, XLogP of 9.22, 19 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-3-[1-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 157134732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).